SCHEMBL23375111

SCHEMBL23375111

CCCCC1(CCCC)CN(c2ccc(C#N)cc2)c2cc(SC)c(OCC(=O)OC(C)(C)C)cc2S(O)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23375112 0.93 NR1H4 (0.39) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375148 0.90 NR1H4 (0.39) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375100 0.90 NR1H4 (0.41) NR1H4
SCHEMBL23375144 0.90 NR1H4 (0.40) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375178 0.88 NR1H4 (0.38) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375175 0.87 NR1H4 (0.39) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23481344 0.85 NR1H4 (0.33) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375134 0.84 DDB1 (0.35) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375149 0.83 NR1H4 (0.40) NR1H4DDB1CRBNPSEN1PSEN2
SCHEMBL23375107 0.83 NR1H4 (0.47) NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885DDB1 4060/4885CRBN 4679/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885DDB1 4027/4885CRBN 4667/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885DDB1 4060/4885CRBN 4679/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885DDB1 4060/4885CRBN 4679/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.